SCHEMBL19201873

SCHEMBL19201873

COC(=O)[C@@H](C)C(c1cccc(O)c1)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.45
SLC6A3 Q01959 3/20 0.40
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
KDR P35968 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17537791 1.00 FFAR1 (0.45) FFAR1SLC6A3OPRD1OPRK1SLC6A4
SCHEMBL17503182 0.95 FFAR1 (0.49) FFAR1
SCHEMBL15990271 0.95 FFAR1 (0.49) FFAR1
SCHEMBL19175526 0.95 FFAR1 (0.49) FFAR1
SCHEMBL29377553 0.95 FFAR1 (0.49) FFAR1
SCHEMBL15971969 0.95 FFAR1 (0.49) FFAR1
SCHEMBL15973334 0.95 FFAR1 (0.49) FFAR1
SCHEMBL20103364 0.95 FFAR1 (0.49) FFAR1
SCHEMBL2498875 0.85 FFAR1 (0.55) FFAR1
SCHEMBL2497755 0.85 FFAR1 (0.55) FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968193-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10968193-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R FFAR1 14/4885SLC6A3 3643/4885OPRD1 884/4885
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GLP1R, GPR65 FFAR1 11/4885SLC6A3 3361/4885OPRD1 822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.